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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Residence time distribution in a structured packing unit for monitoring aerosol emissions

Solvent absorption in a structured packed column has been demonstrated as a viable option for post-combustion carbon capture. Amine emissions in the form of aerosol particles pose a major challenge that severely impacts the separation efficiency of the packed column. The aerosol particles quickly achieve the motion of the gas flow. In this context, residence time distribution (RTD) of the gaseous phase will provide insights for managing aerosol particles, thereby controlling amine loss in the packed column. Computational fluid dynamics (CFD) modeling of such columns is a multiscale problem because of a wide range of disparity in length scales. Accordingly, three-dimensional CFD simulations in the representative elementary unit of a structured packing are conducted using OpenFOAM. The RTD is analyzed in terms of residence time distribution function, mean residence time, and variance. Effects of the diffusivity and flow rates on RTD are extensively studied, and the dispersion coefficient is calculated using a one-dimensional axial dispersion model. Furthermore, RTDs computed in a smaller domain are extrapolated to a larger domain using a convolution integral. The computed and corresponding CFD models derived from the convolution integral match well at different flow rates and domain sizes. A comparison of RTD among different packing designs also is presented at a fixed number of repeating units and different flow rates.

structured packings, residence time distribution↗
DOE OSTI2013

Modeling Fission Product Sorption in Graphite Structures

The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products on each type of graphite site. The model will include multiple simultaneous adsorbing species, which will allow for competitive adsorption effects between different fission product species and O and OH (for modeling accident conditions).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Controlled preparation and structure characterization of BiFeO{sub 3} with macroscopic shapes

Graphical abstract: We firstly explored two facile and successful techniques for BiFeO{sub 3} immobilization on silica fiber, namely, a combined impregnation method with carbon nanofibers (CNFs) templates route, and a combined solvothermal method with CNFs templates route. It is expected that such materials with direct macroscopic shapes would hold promise as highly functionalized materials for potential practical applications, especially in photocatalysis. - Highlights: • BiFeO{sub 3} with macroscopic shape was successfully obtained. • The synthetic methods used here are facile, effective, and reproducible. • Phase composition was strongly affected by calcination temperatures. • The obtained materials are promising visible-light-driven photocatalysts. - Abstract: BiFeO{sub 3} was successfully immobilized on silica fiber via two synthetic techniques (a combined impregnation method with carbon nanofibers templates route; a combined solvothermal method with carbon nanofibers templates route). The phase structure, morphology and optical absorption property of the samples were characterized by X-ray diffraction, field emission scanning electron microscopy, and ultraviolet–visible diffuse reflectance spectroscopy. The results confirmed that carbon nanofibers can act as effective templates for BiFeO{sub 3} immobilization on silica fiber with the applied two methods. Compared with solvent thermal method, impregnation method tends to form a relatively uniform particle size distribution and highly-crystallized phase when the calcination temperature was kept at 773 K for 5 h. It turned out the phase composition of the samples is strongly affected by the calcination temperatures for both cases. Such materials with direct macroscopic shapes would hold promise as highly functionalized materials for potential practical applications, especially in photocatalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Impact of wettability alteration on 3D nonwetting phase trapping and transport

We investigate capillary trapping and fluid migration via x-ray computed microtomography (x-ray CMT) of nonwetting phase (air) and wetting phase (brine) in Bentheimer sandstone cores which have been treated to exhibit different degrees of uniform wettability. x-Ray CMT scans were acquired at multiple steps during drainage and imbibition processes, as well as at the endpoints; allowing for assessment of the impact of wettability on nonwetting phase saturation and cluster size distribution, connectivity, topology and efficiency of trapping. Compared with untreated (water-wet) Bentheimer sandstone, cores treated with tetramethoxylsilane (TMS) were rendered weakly water-wet, and cores treated with octadecyltrichlorosilane (OTS) demonstrate intermediate-wet characteristics. As apparent contact angle increases, drainage flow patterns deviate from those derived for water-wet systems, total residual trapping and trapping efficiency decrease, and buoyancy plays a larger role during nonwetting phase mobilization; this has significant implications for CO 2 migration and trapping during CO 2 sequestration operations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

MODELING THE FREQUENCY DEPENDENCE OF RADIO BEAMS FOR CONE-DOMINANT PULSARS

Beam radii for cone-dominant pulsars follow a power-law relation with frequency, thetav = ({nu}/{nu}{sub 0}) {sup k} + thetav{sub 0}, which has not been well explained in previous works. We study this frequency dependence of beam radius (FDB) for cone-dominant pulsars by using the curvature radiation mechanism. Considering various density and energy distributions of particles in the pulsar open field-line region, we numerically simulate the emission intensity distribution across emission height and rotation phase, get integrated profiles at different frequencies, and obtain the FDB curves. For the density model of a conal-like distribution, the simulated profiles always shrink to one component at high frequencies. In the density model with two separated density patches, the profiles generally have two distinct components, and the power-law indices k are found to be in the range from -0.1 to -2.5, consistent with observational results. Energy distributions of streaming particles have significant influence on the frequency-dependence behavior. Radial energy decay of particles is desired to get proper thetav{sub 0} in models. We conclude that by using the curvature radiation mechanism, the observed FDB for the cone-dominant pulsars can only be explained by the emission model of particles in two density patches with a Gaussian energy distribution and a radial energy loss.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Magnetic structure and magnetization of z -axis helical Heisenberg antiferromagnets with XY anisotropy in high magnetic fields transverse to the helix axis at zero temperature

A helix has a wave vector along the z axis with the magnetic moments ferromagnetically aligned within xy planes with a turn angle kd between the moments in adjacent planes in transverse field H = H x $\hat{i}$ = 0. Here, the magnetic structure and x-axis average magnetization per spin of this system in a classical XY anisotropy field H A is studied versus kd, H A , and large H x at zero temperature. For values of H A below a kd-dependent maximum value, the xy helix phase transitions with increasing H x into a spin-flop (SF) phase where the ordered moments have x, y, and z components. The moments in the SF phase are taken to be distributed on either one or two xyz spherical ellipses. The minor axes of the ellipses are oriented along the z axis and the major axes along the y axis where the ellipses are flattened along the z axis due to the presence of the XY anisotropy. From energy minimization of the SF spherical ellipse parameters for given values of kd, H A , and H x , four kd-dependent SF phases are found: either one or two xyz spherical ellipses and either one or two xy fans, in addition to the xy helix/fan phase and the paramagnetic (PM) phase with all moments aligned along H. The PM phase occurs via second-order transitions from the xy fan and SF phases with increasing H x . Phase diagrams in the H x - H A plane are constructed by energy minimization with respect to the SF phases, the xy helix/fan phase, and the xy SF fan phase for five kd values. Lastly, one of these five phase diagrams is compared with the magnetic properties found experimentally for the model helical Heisenberg antiferromagnet EuCo 2 P 2 and semiquantitative agreement is found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Coherent Reaction between Molecular and Atomic Bose-Einstein Condensates: Integrable Model

Here, we solve a model that describes a stimulated conversion between ultracold bosonic atoms and molecules. The reaction is triggered by a linearly time-dependent transition throughout the Feshbach resonance. Our solution predicts a dependence, with a dynamic phase transition, of the reaction efficiency on the transition rate for both atoms-to-molecule pairing and molecular dissociation processes. We find that for the latter process with a linear energy dispersion of atomic modes, the emerging phase can have a thermalized energy distribution of noninteracting bosons with the temperature defined by the rate of the transition. This provides a simple interpretation of the phase transition in terms of the creation of equilibrium Bose-Einstein condensate.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Imaging Phase Segregation in Nanoscale Li x CoO 2 Single Particles

Li x CoO 2 (LCO) is a common battery cathode material that has recently emerged as a promising material for other applications including electrocatalysis and as electrochemical random access memory (ECRAM). During charge– discharge cycling LCO exhibits phase transformations that are significantly complicated by electron correlation. While the bulk phase diagram for an ensemble of battery particles has been studied extensively, it remains unclear how these phases scale to nanometer dimensions and the effects of strain and diffusional anisotropy at the single-particle scale. Understanding these effects is critical to modeling battery performance and for predicting the scalability and performance of electrocatalysts and ECRAM. Here we investigate isolated, epitaxial LiCoO 2 islands grown by pulsed laser deposition. After electrochemical cycling of the islands, conductive atomic force microscopy (c-AFM) is used to image the spatial distribution of conductive and insulating phases. Above 20 nm island thicknesses, we observe a kinetically arrested state in which the phase boundary is perpendicular to the Li-planes; we propose a model and present image analysis results that show smaller LCO islands have a higher conductive fraction than larger area islands, and the overall conductive fraction is consistent with the lithiation state. Thinner islands (14 nm), with a larger surface to volume ratio, are found to exhibit a striping pattern, which suggests surface energy can dominate below a critical dimension. When increasing force is applied through the AFM tip to strain the LCO islands, significant shifts in current flow are observed, and underlying mechanisms for this behavior are discussed. The c-AFM images are compared with photoemission electron microscopy images, which are used to acquire statistics across hundreds of particles. Finally, the results indicate that strain and morphology become more critical to electrochemical performance as particles approach nanometer dimensions.

25 ENERGY STORAGE↗
DOE OSTI2016

Effects of 90 deg. vertical elbows on two-phase flow parameters

This study investigates two-phase flow from vertical-upward to horizontal and horizontal to vertical-downward direction through 90 deg. vertical elbows. Specifically, effects of 90 deg. vertical elbows on two-phase pressure drop, development of bubble distribution, and one-dimensional transport of bubble velocity are studied. Pressure measurements are obtained along the test section over a wide range of flow conditions. The two-phase pressure drops across the elbows are modeled using the modified Lockhart-Martinelli correlation which accounts for the minor loss effect. It is demonstrated that the modified Lockhart-Martinelli correlation can predict the pressure loss across elbows with different orientations and angles by varying the minor loss coefficient. A database is established by measuring two-phase flow parameters across 90 deg. vertical elbows using a four-sensor conductivity probe. It is found that immediately downstream of the 90 deg. vertical-upward elbow, the bubbles have a bimodal distribution along the horizontal radius of the pipe cross-section causing a dual-peak in the profiles of local void fraction and interfacial area concentration. As the flow develops, the bimodal bubble distribution dissipates and develops to a single-peaked bubble distribution near the top of the pipe. Immediately downstream of the 90 deg. vertical-downward elbow, a bimodal bubble distribution is also observed near the inner curvature of the elbow. As the flow develops, the bimodal bubble distribution migrates to the pipe center and finally develops to a characteristic center-peaked bubble distribution. For the area averaged void-weighted bubble velocity, it varies significantly in the elbow regions due to the changes in local velocity profile and bubble distribution caused by the elbow effects. (authors)

42 ENGINEERING↗
DOE OSTI2020

MEUMAPPS (Microstructure Evolution Using Massively Parallel Phase-field Simulations)

The software “MEUMAPPS” is a h high-performance computing code used to simulate microstructure evolution associated with diffusional solid-state transformations in structural alloys. Understanding microstructure evolution during thermo-mechanical processing of structural alloys is the first step towards designing and processing alloys for specific applications by meeting property requirements demanded by the application. In this instance, the code is an important component in predicting processing-structure linkages during additive manufacturing of structural alloys as a function of processing parameters and alloy composition used in an additive manufacturing process. The code provides a detailed three-dimensional distribution of different types of phases / constituents and their morphologies, as well as the compositions of these phases that make up the microstructure. The microstructure is simulated by solving the governing partial differential equations using a Fourier Spectral Method.

Radhakrishnan, Balasubram↗
DOE OSTI2023

Structural Explanation of the Dielectric Enhancement of Barium Titanate Nanoparticles Grown under Hydrothermal Conditions

Abstract When synthesized under certain conditions, barium titanate (BaTiO 3 , BTO) nanoparticles are found to have the non‐thermodynamic cubic structure at room temperature. These particles also have a several‐fold enhanced dielectric constant, sometimes exceeding 6000, and are widely used in thin‐layer capacitors. A hydrothermal approach is used to synthesize BTO nanocrystals, which are characterized by a range of methods, including X‐ray Rietveld refinement and the Williamson–Hall approach, revealing the presence of significant inhomogeneous strain associated with the cubic phase. However, X‐ray pair distribution function measurements clearly show the local structure is lower symmetry than cubic. This apparent inconsistency is resolved by examining 3D Bragg coherent diffraction images of selected nanocrystals, which show the existence of ≈50 nm‐sized domains, which are interpreted as tetragonal twins, and yet cause the average crystalline structure to appear cubic. The ability of these twin boundaries to migrate under the influence of electric fields explains the dielectric anomaly for the nanocrystalline phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

THE QUENCHING TIMESCALE AND QUENCHING RATE OF GALAXIES

The average star formation rate (SFR) in galaxies has been declining since the redshift of 2. A fraction of galaxies quench and become quiescent. We constrain two key properties of the quenching process: the quenching timescale and the quenching rate among galaxies. We achieve this by analyzing the galaxy number density profile in NUV- u color space and the distribution in NUV- u versus u - i color–color diagram with a simple toy-model framework. We focus on galaxies in three mass bins between 10{sup 10} and 10{sup 10.6} M {sub ⊙}. In the NUV- u versus u - i color–color diagram, the red u - i galaxies exhibit a different slope from the slope traced by the star-forming galaxies. This angled distribution and the number density profile of galaxies in NUV- u space strongly suggest that the decline of the SFR in galaxies has to accelerate before they turn quiescent. We model this color–color distribution with a two-phase exponential decline star formation history. The models with an e-folding time in the second phase (the quenching phase) of 0.5 Gyr best fit the data. We further use the NUV- u number density profile to constrain the quenching rate among star-forming galaxies as a function of mass. Adopting an e-folding time of 0.5 Gyr in the second phase (or the quenching phase), we found the quenching rate to be 19%/Gyr, 25%/Gyr and 33%/Gyr for the three mass bins. These are upper limits of the quenching rate as the transition zone could also be populated by rejuvenated red-sequence galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Transversely accelerated ions in the topside ionosphere

Data from the rocket campaigns Mechanism in the Auroral Region for Ion Energization (MARIE) and TOpside Probe of the Auroral Zone (TOPAZ) III, within regions of low-altitude transversely accelerated ions, are interpreted to explain the acceleration of the ions. Using the Monte Carlo kinetic technique to evaluate the ion heating produced by the simultaneously observed lower hybrid waves, we find that their observed electric field amplitudes are sufficient to explain the observed ion energies in the MARIE event. Much of the uncertainty in evaluating the efficiency of a plasma wave induced particle heating process which is dependent on a velocity resonance comes from the lack of information on the phase velocities of the waves. In the case of the MARIE observations, our modeling efforts show that features in the ion velocity distribution are consistent with the wave phase velocities inferred from interferometer measurements of wavelengths. The lower hybrid waves with which low-altitude transversely accelerated ions are associated are frequently observed to be concentrated in small-scale wave packets called 'spikelets'. We demonstrate through the scaling of the size of these wave packets that they are consistent with the theory of lower hybrid collapse. Using the Monte Carlo technique, we find that if the lower hybrid field energy is concentrated in these wave packets, it is still adequate to accelerate the ionospheric ions to the observed energies.

Retterer, John M.↗
DOE OSTI2018

A tesselation-based model for intensity estimation and laser plasma interactions calculations in three dimensions

Here, a three-dimensional laser propagation model for computation of laser-plasma interactions is presented. It is focused on indirect drive geometries in inertial confinement fusion and formulated for use at large temporal and spatial scales. A modified tesselation-based estimator and a relaxation scheme are used to estimate the intensity distribution in plasma from geometrical optics rays. Comparisons with reference solutions show that this approach is well-suited to reproduce realistic 3D intensity field distributions of beams smoothed by phase plates. It is shown that the method requires a reduced number of rays compared to traditional rigid-scale intensity estimation. Using this field estimator, we have implemented laser refraction, inverse-bremsstrahlung absorption, and steady-state crossed-beam energy transfer with a linear kinetic model in the numerical code VAMPIRE. Probe beam amplification and laser spot shapes are compared with experimental results and pf3d paraxial simulations. These results are promising for the efficient and accurate computation of laser intensity distributions in holhraums, which is of importance for determining the capsule implosion shape and risks of laser-plasma instabilities such as hot electron generation and backscatter in multi-beam configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

The cosmic waltz of Coma Berenices and Latyshev 2 (Group X)

Context. Open clusters (OCs) are fundamental benchmarks where theories of star formation and stellar evolution can be tested and validated. Coma Berenices (Coma Ber) and Latyshev 2 (Group X) are the second and third OCs closest to the Sun, making them excellent targets to search for low-mass stars and ultra-cool dwarfs. In addition, this pair will experience a flyby in 10–16 Myr, making it a benchmark to test pair interactions of OCs. Aims. We aim to analyse the membership, luminosity, mass, phase-space (i.e. positions and velocities), and energy distributions for Coma Ber and Latyshev 2 and test the hypothesis of the mixing of their populations at the encounter time. Methods. We developed a new phase-space membership methodology and applied it to Gaia data. With the recovered members, we inferred the phase-space, luminosity, and mass distributions using publicly available Bayesian inference codes. Then, with a publicly available orbit integration code and members’ positions and velocities, we integrated their orbits 20 Myr into the future. Results. In Coma Ber, we identified 302 candidate members distributed in the core and tidal tails. The tails are dynamically cold and asymmetrically populated. The stellar system called Group X is made of two structures: the disrupted OC Latyshev 2 (186 candidate members) and a loose stellar association called Mecayotl 1 (146 candidate members), and both of them will fly by Coma Ber in 11.3 ± 0.5 Myr and 14.0 ± 0.6 Myr, respectively, and each other in 8.1 ± 1.3 Myr. Conclusions. We study the dynamical properties of the core and tails of Coma Ber and also confirm the existence of the OC Latyshev 2 and its neighbour stellar association Mecayotl 1. Although these three systems will experience encounters, we find no evidence supporting the mixing of their populations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Low-Cost Bio-Based Phase Change Materials as an Energy Storage Medium in Building Envelopes

A promising approach to increasing the energy efficiency of buildings is the implementation of phase change material (PCM) in building envelope systems. Several studies have reported the energy saving potential of PCM in building envelopes. However, wide application of PCMs in building applications has been inhibited, in part, by their high cost. This article describes a novel paraffin product made of naturally occurring fatty acids/glycerides trapped into high density polyethylene (HDPE) pellets and its performance in a building envelope application, with the ultimate goal of commercializing a low-cost PCM platform. The low-cost PCM pellets were mixed with cellulose insulation, installed in external walls and field-tested under natural weatherization conditions for a period of several months. In addition, several PCM samples and PCM-cellulose samples were prepared under controlled conditions for laboratory-scale testing. The laboratory tests were performed to determine the phase change properties of PCM-enhanced cellulose insulation both at microscopic and macroscopic levels. This article presents the data and analysis from the exterior test wall and the laboratory-scale test data. PCM behavior is influenced by the weather and interior conditions, PCM phase change temperature and PCM distribution within the wall cavity, among other factors. Under optimal conditions, the field data showed up to 20% reduction in weekly heat transfer through an external wall due to the PCM compared to cellulose-only insulation.

low-cost PCM↗